General Information of the Compound
| Compound ID |
CP0402837
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-[(E)-[3-(2,4-dichlorophenyl)thiophen-2-yl]methylideneamino]oxyethyl]piperidine-3-carboxylic acid;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H21Cl3N2O3S
|
||||||||||||||||||
| Molecular Weight |
463.814
|
||||||||||||||||||
| Canonical SMILES |
Cl.OC(=O)C1CCCN(CCO\N=C\c2sccc2-c2ccc(Cl)cc2Cl)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20Cl2N2O3S.ClH/c20-14-3-4-15(17(21)10-14)16-5-9-27-18(16)11-22-26-8-7-23-6-1-2-13(12-23)19(24)25;/h3-5,9-11,13H,1-2,6-8,12H2,(H,24,25);1H/b22-11+;
Show/Hide
|
||||||||||||||||||
| InChIKey |
MAYBNFYGNFINLF-RCIYGFKVSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03285, Sodium- and chloride-dependent GABA transporter 1
Protein ID: PT03705, Sodium- and chloride-dependent GABA transporter 2
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3